1-Bromo-3,5-bis(1,1-dimethylethyl)benzene
-
1-Bromo-3,5-bis(1,1-dimethylethyl)benzene
structure -
-
CAS No:
22385-77-9
-
Formula:
C14H21Br
-
Chemical Name:
1-Bromo-3,5-bis(1,1-dimethylethyl)benzene
-
Synonyms:
Benzene,1-bromo-3,5-bis(1,1-dimethylethyl)-;Benzene,1-bromo-3,5-di-tert-butyl-;1-Bromo-3,5-bis(1,1-dimethylethyl)benzene;3,5-Di-tert-butylbromobenzene;1-Bromo-3,5-di-tert-butylbenzene;3,5-Di-tert-butylphenyl bromide;1-Bromo-3,5-tert-butylbenzene;1,3-Di-tert-butyl-5-bromobenzene;1-Bromo-3,5-ditert-butylbenzene;1-Bromo-3,5-Di-t-butylbenzene
- Categories:
-
CAS No:
1-Bromo-3,5-bis(1,1-dimethylethyl)benzene Basic Attributes
269.22
269.22
2091559
-0
DTXSID00347326
2903999090
Characteristics
0
6
1.1±0.1 g/cm3
63-64 °C @ Solvent: Ligroine
147-148 °C @ Press: 12 Torr
98.9±13.1 °C
1.504
Room temperature.
0.0332mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R22
22-24/25
Xi
Irritant
P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Bromo-3,5-bis(1,1-dimethylethyl)benzene Use and Manufacturing
A dry, argon-flushed, 3-necked, 250 mL round-bottom flask was equipped with a condenser fitted with anitrogen gas inlet adapter, a thermometer, an addition funnel, and a Teflon-coated magnetic stir bar. 1, 3, 5-tri-tert-butyIbenzene (15.0 g, 61 mmol, 1.0 equiv) was added to 42 mL of dichloromethane under N2 withstirring and cooled to 0 °C. Using an argon-flushed syringe, 1.0 mL (7.8 mmol, 0.13 equiv) of SbCl5 wasadded. Liquid bromine (4.94 mL, 96.0 mmol, 1.6 equiv) was added to 20 mL CH2Cl2 and placed into theaddition funnel. The whole apparatus was wrapped in aluminum foil and placed in the dark. The Br2solution was added over 2 hours (approx. 1 drop per 2 sec). The solution was stirred for an additional 3hours at 0 °C and then poured into a mixture of 800 g ice and 800 mL water. The solution was stirred for15 min and approx. 100 mL of 5 M aqueous NaOH solution was added with stirring until alkaline (pH =8-9). Using a 2 L separatory funnel, the organic layer was extracted 3 times with CH2Cl2. The combinedorganic layers were then washed sequentially with water, saturated aqueous Na2S2O3 solution, water, brine, and then dried with MgSO4. The product was concentrated using the rotary evaporator and thenplaced under vacuum for several hours to dryness. The crude product was placed into a recrystallizationdish, 30 mL of hot ethanol was added, and the mixture was allowed to come to a boil using a hotplate.The dish was then cooled to RT and the solid mass filtered, washed 3 times with a minimum quantity ofcold ethanol, and then dried under vacuum, giving 11.1 g (68percent) of 1-bromo-3, 5-di-tert-butylbenzene. 1HNMR (500 MHz, CDCl3): δ 1.30 (s, 18H), 7.17 (d, 1H), 7.32 (s, 2H). Analytical data matches thatreported in the literature.
Computed Properties
Molecular Weight:269.22
XLogP3:6
Rotatable Bond Count:2
Exact Mass:268.08266
Monoisotopic Mass:268.08266
Heavy Atom Count:15
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 1-Bromo-3,5-bis(1,1-dimethylethyl)benzene
-
![China]()
CN
5 YRS
Business licensed Certified factoryManufactory Supplier of Dichloromethane,Linocaine hydrochloride -
![China]()
CN
4 YRS
Business licensed Certified factoryManufactory Supplier of Cosmetics raw materials,Pesticide intermediate,Photoelectric material,pharmaceutical intermediates,Raw materials for food and health products,Polymer materials,Fine Chemicals,Synthetic customization -
![China]()
CN
5 YRS
Business licensedTrader Supplier of Peptides,Chemicals,API,AdditivesInquiryCAS No.: 22385-77-9Grade: Pharmaceutical GradeContent: 99% -
![China]()
CN
5 YRS
Business licensedTrader Supplier of PVC resin,pvc paste resin,melamineInquiryCAS No.: 22385-77-9Grade: Industrial GradeContent: 99%
Learn More Other Chemicals
-
6-Methyl-2′,3′-dideoxyadenosine
85326-07-4
-
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
853138-65-5
-
Phenylmethyl docosanoate
85263-74-7
-
5,6,7,8-Tetrahydro-2-naphthalenesulfonic acid Formula
93-12-9
-
6-CHLORO-3-PHENYL-2-QUINOLINOL Formula
85274-64-2
-
2,5-Furandione, dihydro-, monopolyisobutylene derivs. Formula
67762-77-0
-
N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)maleimide Structure
852527-40-3
-
2-Benzothiazolecarboxaldehyde,5-methoxy-(5CI) Structure
854059-90-8
-
What is Benzamide, 5-(aminosulfonyl)-N-[(2-ethyloctahydro-1H-isoindol-1-yl)methyl]-2-methoxy-, hydrochloride (1:1)
85409-39-8
-
What is 3-(2,4-Dimethylphenyl)-5-phenyl-1H-1,2,4-triazole
85303-90-8
1-Bromo-3,5-bis(1,1-dimethylethyl)benzene
SDSRequest for Quotation